Geometry & MOs

Info

ID:	252843
PubChem CID:	103114549
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	292.215078
ΔH_f, kcal/mol:	0.02
Dipole, Da:	5.81
IP(EA), eV:	-9.06(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethyl-N-[(2-methyl-3-nitrophenyl)methyl]heptan-4-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2CCCNCC2

DOS

IR

Vibrations